SCHEMBL3587014

SCHEMBL3587014

CC(C)CNCCCC(C)(C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.46
ACACA Q13085 1/20 0.46
ACLY P53396 1/20 0.43
GUCY1A1 Q02108 1/20 0.41
GUCY1B1 Q02153 1/20 0.41
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
PPARA Q07869 7/20 0.34
TBXAS1 P24557 2/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
TTR P02766 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C8 P10632 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
ADRA1A P35348 1/20 0.33
PPARG P37231 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6464098 0.78 ACLY (0.55) ACACBACACAACLYGUCY1A1GUCY1B1
SCHEMBL6464912 0.76 ACLY (0.59) ACACBACACAACLYGUCY1A1GUCY1B1
SCHEMBL15183474 0.76 HRH4 (0.36) CYP2C19CYP1A2
SCHEMBL9710091 0.76 ACACB (0.61) ACACBACACAACLYGUCY1A1GUCY1B1
SCHEMBL23696097 0.73 MEN1 (0.34) SCN1ASCN2ASCN3A
SCHEMBL1016459 0.72 ACACB (0.68) ACACBACACAACLYGUCY1A1GUCY1B1
SCHEMBL4751813 0.72 CYP2D6 (0.43) CYP2D6CYP2C19PPARATSHRADRA1A
SCHEMBL23945701 0.72 HRH4 (0.34) CYP2C19CYP1A2
SCHEMBL7222208 0.72 ACLY (0.70) ACACBACACAACLYGUCY1A1GUCY1B1
SCHEMBL2784372 0.72 ACLY (0.62) ACACBACACAACLYGUCY1A1GUCY1B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1632477-B1 BENZAMIDE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2017-03-01 EP disclosed
US-7855198-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2010-12-21 US disclosed
US-20090270365-A1 such as N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide, having vanilloid receptor 1 antagonistic activity, used as analgesics ASTELLAS PHARMA INC. (JP) 2009-10-29 US disclosed
US-7585878-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 US disclosed
US-20070167444-A1 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. 2007-07-19 US disclosed
EP-1632477-A1 BENZAMIDE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2006-03-08 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090270365-A1 such as N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide, having vanilloid receptor 1 antagonistic activity, used as analgesics TRPV1, TRPV2, TRPV3 ACACB 4719/4885ACACA 4664/4885ACLY 4842/4885
US-20070167444-A1 Benzamide derivative or salt thereof TRPV1, BDKRB1, BDKRB2 ACACB 4571/4885ACACA 4435/4885ACLY 4504/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.